MC-HphHty (CHEBI:221105)

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CHEBI:221105 - MC-HphHty

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ChEBI ID	CHEBI:221105
ChEBI Name	MC-HphHty
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C57H73N7O13
Net Charge	0
Average Mass	1064.247
Monoisotopic Mass	1063.52664
SMILES	C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CCc2ccccc2)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](CCc2ccc(O)cc2)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C
InChI	InChI=1S/C57H73N7O13/c1-33(31-34(2)47(77-8)32-41-17-13-10-14-18-41)19-26-43-35(3)50(67)62-46(56(73)74)29-30-48(66)64(7)38(6)53(70)58-37(5)52(69)61-45(27-22-39-15-11-9-12-16-39)55(72)63-49(57(75)76)36(4)51(68)60-44(54(71)59-43)28-23-40-20-24-42(65)25-21-40/h9-21,24-26,31,34-37,43-47,49,65H,6,22-23,27-30,32H2,1-5,7-8H3,(H,58,70)(H,59,71)(H,60,68)(H,61,69)(H,62,67)(H,63,72)(H,73,74)(H,75,76)/b26-19+,33-31+/t34-,35-,36-,37+,43-,44-,45-,46+,47-,49+/m0/s1
InChIKey	GPSIPJQQMCPLFC-ZOGHLDEHSA-N

Species of Metabolite	Component	Source	Comments
Phormidiumspecies DVL1003c (ncbitaxon:356130)	-	PubMed (23601305)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	MC-HphHty (CHEBI:221105) is a peptide (CHEBI:16670)

IUPAC Name
(5R,8S,11R,12S,15S,18S,19S,22R)-15-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-8-(2-phenylethyl)-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid